O6-[4-oxidanylidene-2-(4-phenylmethoxyphenyl)chromen-3-yl] O1-(phenylmethyl) hexanedioate

Systemtic Name: O6-[4-oxidanylidene-2-(4-phenylmethoxyphenyl)chromen-3-yl] O1-(phenylmethyl) hexanedioate Openeye Name: O1-benzyl O6-[2-(4-benzyloxyphenyl)-4-oxo-chromen-3-yl] hexanedioate CAS Name: hexanedioic acid O6-[4-oxo-2-(4-phenylmethoxyphenyl)-1-benzopyran-3-yl] ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 6-O-[4-oxo-2-(4-phenylmethoxyphenyl)chromen-3-yl] hexanedioate Traditional Name: adipic acid O6-[2-(4-benzoxyphenyl)-4-keto-chromen-3-yl] ester O1-benzyl ester Formula: C35H30O7 MolecularWeight: 562.6085

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)OC(=O)CCCCC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C(=O)C4=CC=CC=C4O3)OC(=O)CCCCC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H30O7/c36-31(40-24-26-13-5-2-6-14-26)17-9-10-18-32(37)42-35-33(38)29-15-7-8-16-30(29)41-34(35)27-19-21-28(22-20-27)39-23-25-11-3-1-4-12-25/h1-8,11-16,19-22H,9-10,17-18,23-24H2